Interaction Scheme

Molecule

L ala
L-Alanine

Host

Meso cx4 di%28opr%29chohpo3h2
meso-Cx4-di(OPr)CHOHPO3H2

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5128.61 ± 1558.21 M-1
Kd =
logKa = 3.71 ± 0.13
T 45.0 °C 318 K
Energy kJ mol-1 kcal mol-1
ΔG = -22.6 ± 0.78 -5.4 ± 0.19
ΔH = -9.06 ± 0.26 -2.17 ± 0.06
-TΔS = -13.51 -3.23
J mol-1 K-1 cal mol-1 K-1
ΔS = 42.5 10.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent methanol
Please find here information about the dataset this interaction is part of.
Citation:

W. Zielenkiewicz, A. Marcinowicz, J. Poznański, S. Cherenok, V. Kalchenko, SupraBank 2024, Calorimetric, NMR, and UV Investigations of Aliphatic l-Amino Acids Complexation by Calix[4]arene Bis-hydroxymethylphosphous Acid (dataset). https://doi.org/10.34804/supra.20210928170

Link: https://doi.org/10.34804/supra.20210928170
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

W. Zielenkiewicz, A. Marcinowicz, J. Poznański, S. Cherenok, V. Kalchenko, J Incl Phenom Macrocycl Chem 2006, 55, 11–19.

Link: https://doi.org/10.1007/s10847-005-9012-y
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Alanine (0.003899692119307181 M) and meso-Cx4-di(OPr)CHOHPO3H2 (0 — 0.007799384238614362 M).